Glycoside

GD082099
Name:
NoneFormula:
C15H29O9N2SSmiles:
O=C(CC12CCC[NH+]1CCC2)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)CC12CCC[NH+]1CCC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.93 |
AlogP: | -2.33 | Num_rotatable_bonds: | 6 |
MolWt: | 413.47 | Num_heavy_atoms: | 27 |
TPSA: | 173.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
MolWt: | 114.12 | Num_heavy_atoms: | 6 |
TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29061
Formula: C9H17ON2
Smiles:
NC(=O)CC12CCC[NH+]1CCC2HBA: | 3 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.89 |
AlogP: | -0.93 | Num_rotatable_bonds: | 2 |
MolWt: | 169.25 | Num_heavy_atoms: | 12 |
TPSA: | 47.53 | NumAromaticRings: | 0 |